2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-1-ol

C16H16N2O3 — CID 136852131

IUPAC2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-1-ol
SMILESCOC(C)Cc1noc(-c2ccc3ccccc3c2O)n1
InChIInChI=1S/C16H16N2O3/c1-10(20-2)9-14-17-16(21-18-14)13-8-7-11-5-3-4-6-12(11)15(13)19/h3-8,10,19H,9H2,1-2H3
InChIKeyUDADTGSNJFUEFF-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.17
Rot. Bonds4

About 2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-1-ol

2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-1-ol (PubChem CID 136852131) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-1-ol
PubChem CID136852131
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-1-ol
SMILESCOC(C)Cc1noc(-c2ccc3ccccc3c2O)n1
InChIInChI=1S/C16H16N2O3/c1-10(20-2)9-14-17-16(21-18-14)13-8-7-11-5-3-4-6-12(11)15(13)19/h3-8,10,19H,9H2,1-2H3
InChIKeyUDADTGSNJFUEFF-UHFFFAOYSA-N
XLogP3.17
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136964522
(R)-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898781
2-methyl-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82830538
1-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]propan-2-ol
CID 115079297
2-[[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 113391089
(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 61324776
2-[2-(1-hydroxynaphthalen-2-yl)-3,6-di(propan-2-yl)phenyl]naphthalen-1-ol
CID 19862843
2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136965239
N-methyl-1-[5-(2-methyl-6-phenyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120865067
N-methyl-1-[5-(2-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120867072
3-methoxy-4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107209176
3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136983498

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-1-ol?
The IUPAC name of 2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-1-ol (CID 136852131) is 2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-1-ol.
What is the SMILES notation for 2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-1-ol?
The canonical SMILES for 2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-1-ol is COC(C)Cc1noc(-c2ccc3ccccc3c2O)n1.
What is the InChIKey of 2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-1-ol?
The InChIKey is UDADTGSNJFUEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10(20-2)9-14-17-16(21-18-14)13-8-7-11-5-3-4-6-12(11)15(13)19/h3-8,10,19H,9H2,1-2H3.
What are the key properties of 2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-1-ol?
2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-1-ol has a molecular weight of 284.31 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-1-ol is sourced from PubChem (CID 136852131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).